Chem
J-GLOBAL ID：200907000504458881
Nikkaji number：J778.276D
(5S)-1,5-Dimethyl-3-[3-(trifluoromethyl)-4-cyanophenyl]-5-(bromomethyl)imidazolidine-2,4-dione
(5S)-1,5-ジメチル-3-[3-(トリフルオロメチル)-4-シアノフェニル]-5-(ブロモメチル)イミダゾリジン-2,4-ジオン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C14H11BrF3N3O2
Molecular formula furigana： C14-H11-BR-F3-N3-O2
Molecular weight： 390.160
InChI：
InChI=1S/C14H11BrF3N3O2/c1-13(7-15)11(22)21(12(23)20(13)2)9-4-3-8(6-19)10(5-9)14(16,17)18/h3-5H,7H2,1-2H3/t13-/m1/s1
InChI key：
WCQOJIBWEODHEI-CYBMUJFWSA-N
SMILES：
CN1C(=O)N(C(=O)[C@@]1(C)CBr)c1ccc(C#N)c(c1)C(F)(F)F
Systematic name (3)：
- (5S)-1,5-ジメチル-3-[3-(トリフルオロメチル)-4-シアノフェニル]-5-(ブロモメチル)イミダゾリジン-2,4-ジオン
- 4-[(4S)-4-(ブロモメチル)-3,4-ジメチル-2,5-ジオキソイミダゾリジン-1-イル]-2-(トリフルオロメチル)ベンゾニトリル
- 4-[(4S)-4-(bromomethyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
- (5S)-1,5-Dimethyl-3-[3-(trifluoromethyl)-4-cyanophenyl]-5-(bromomethyl)imidazolidine-2,4-dione
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